Compound Detail
CHEMBL4100361
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CCOC[C@@]1(O)[C@H](OC(=O)C(C)C)[C@]2(CC)C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@@H]14)[C@@H]32
Basic Information
| ChEMBL ID | CHEMBL4100361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLUGLEFVHPPQKQ-YBMFQFDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
3.14
ALogP
7
HBA
1
HBD
71.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIN6 CHEMBL4483258 | EC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIN6 | EC50 | = | 14200.0 | nM | 4.85 | Induction of glucose-stimulated insulin secretion in mouse MIN6 cells after 2 hr... | 28162858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28162858 | 10.1016/j.bmcl.2016.09.064 | MIN6 | 1 |
Data from ChEMBL 36 via Core Engine